SCHEMBL5450019

SCHEMBL5450019

Cc1ccc2c(c1)nc(N)n[n+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
NCK1 P16333 1/20 0.37
BACE1 P56817 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.33
ACHE P22303 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5461503 0.86 NCK1 (0.41) MAPTKDM4ENCK1BACE1HRH4
SCHEMBL5109963 0.82 KMT2A (0.41) MAPTKDM4ERAB9AALDH1A1GAA
SCHEMBL5460331 0.79 ALDH1A1 (0.37) MAPTKDM4ENQO2CYP1A2RAB9A
SCHEMBL5451536 0.79 KDM4E (0.38) MAPTKDM4ENQO2CYP1A2ALDH1A1
SCHEMBL4275240 0.79 PIK3CG (0.47) MAPTKDM4EBACE1CYP1A2ALDH1A1
SCHEMBL25074945 0.79 PABPC1 (0.47) MAPTKDM4EBACE1HRH4CYP1A2
SCHEMBL31097091 0.79 PABPC1 (0.47) MAPTKDM4EBACE1HRH4CYP1A2
SCHEMBL31097094 0.79 PABPC1 (0.47) MAPTKDM4EBACE1HRH4CYP1A2
SCHEMBL2777957 0.79 CRHBP (0.43) KDM4ENQO2CYP1A2RAB9AALDH1A1
SCHEMBL6678645 0.79 NPC1 (0.40) MAPTKDM4ERAB9AALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP claimed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US claimed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 MAPT 4090/4885KDM4E 373/4885NCK1 2896/4885
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 MAPT 4097/4885KDM4E 1298/4885NCK1 2715/4885
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 MAPT 4576/4885KDM4E 188/4885NCK1 3833/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.